CID 10268934

2-(1h-5-indazolyl)amino-4-methoxy-6-morpholinoamino-1,3,5-triazine

Structural Information

Molecular Formula
C15H18N8O2
SMILES
COC1=NC(=NC(=N1)NN2CCOCC2)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C15H18N8O2/c1-24-15-19-13(17-11-2-3-12-10(8-11)9-16-21-12)18-14(20-15)22-23-4-6-25-7-5-23/h2-3,8-9H,4-7H2,1H3,(H,16,21)(H2,17,18,19,20,22)
InChIKey
IPUIROKGQSWAMU-UHFFFAOYSA-N
Compound name
4-N-(1H-indazol-5-yl)-6-methoxy-2-N-morpholin-4-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15527 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16255 176.4
[M+Na]+ 365.14449 183.6
[M-H]- 341.14799 178.9
[M+NH4]+ 360.18909 181.1
[M+K]+ 381.11843 178.1
[M+H-H2O]+ 325.15253 163.7
[M+HCOO]- 387.15347 191.1
[M+CH3COO]- 401.16912 184.3
[M+Na-2H]- 363.12994 183.5
[M]+ 342.15472 174.5
[M]- 342.15582 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.